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arXiv:cond-mat/9606217

Pairing Mechanism in the Two-Dimensional Hubbard Model

Douglas J. Scalapino

Published Jun 28, 1996• 2 citations
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Abstract

Here we discuss Quantum Monte Carlo results for the magnetic susceptibility, single-particle spectral weight and the irreducible particle-particle interaction vertex of the two-dimensional Hubbard model. In the doped system, as the temperature is lowered below J=4t^2/U, short-range antiferromagnetic correlations develop. These lead to a narrow low-energy quasiparticle band with a large Fermi surface and a particle-particle vertex which increases at large momentum transfer, which favor d_{x^2-y^2}-pairing.

DOI
10.48550/arxiv.cond-mat/9606217

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Here we discuss Quantum Monte Carlo results for the magnetic susceptibility, single-particle spectral weight and the irreducible particle-particle interaction vertex of the two-dimensional Hubbard model. In the doped system, as the temperature is lowered below J=4t^2/U, short-range antiferromagnetic correlations develop. These lead to a narrow low-energy quasiparticle band with a large Fermi surface and a particle-particle vertex which increases at large momentum transfer, which favor d_{x^2-y^2}-pairing.
Dynamic cluster Monte Carlo calculations for the doped two-dimensional Hubbard model are used to study the irreducible particle-particle vertex responsible for dx2-y2 pairing in this model. This vertex increases with increasing momentum transfer and decreases when the energy transfer exceeds a scale associated with the Q=(pi, pi) spin susceptibility. Using an exact decomposition of this vertex into a fully irreducible two-fermion vertex and charge and magnetic exchange channels, the dominant part of the effective pairing interaction is found to come from the magnetic, spin S=1 exchange channel.
Monte Carlo calculations of the irreducible particle-particle interaction on a two-leg Hubbard ladder doped near half-filling are reported. As the temperature is lowered, this interaction develops structure in momentum space similar to the magnetic susceptibility χ(q)χ(q)χ(q) and reflects the development of strong short-range antiferromagnetic correlations. Using this interaction, the eigenfunction of the leading singlet pair eigenvalue is found to have dx2−y2d_{x^2-y^2}dx2−y2​ like symmetry. The single-particle spectral weight is also shown to peak near (π,0)(π,0)(π,0) and (0,π)(0,π)(0,π) when the ratio of the inter- to intra-chain hopping t⊥/t≃1.5t_{\perp}/t\simeq 1.5t⊥​/t≃1.5, leading to an increased tendency for pairing.
A dynamic cluster quantum Monte Carlo algorithm is used to study a spin-susceptibility representation of the pairing interaction for the two-dimensional Hubbard model with an on-site Coulomb interaction equal to the bandwidth for various doping levels. We find that the pairing interaction is well approximated by $\frac{3}{2}\overline{U}{(T)}^{2}\ensuremath{\chi}(K\ensuremath{-}{K}^{\ensuremath{'}})$, with an effective temperature and doping dependent coupling U‾(T)\overline{U}(T)U(T) and the numerically calculated spin susceptibility $\ensuremath{\chi}(K\ensuremath{-}{K}^{\ensuremath{'}})$. We show that at low temperatures, U‾\overline{U}U may be accurately determined from a corresponding spin-susceptibility based calculation of the single-particle self-energy. We conclude that the strength of the ddd-wave pairing interaction, characterized by the mean-field transition temperature, can be determined from a knowledge of the dressed spin susceptibility and the nodal quasiparticle spectral weight. This has important implications with respect to the questions of whether spin fluctuations are responsible for pairing in the high-Tc{T}_{c}Tc​ cuprates.
The self-energy of the hole-doped two-dimensional (2D) Hubbard model is calculated to second order in the interaction U and the ensuing renormalization of the spectral properties and of the Fermi surface is discussed. In uncorrelated systems the square-shaped Fermi surface separates the Fermi surface closed around the \ensuremath{\Gamma} point (with more holes than particles) from the Fermi surface closed around the Z point (with more particles than holes). In a correlated system a topological change from a Fermi surface centered around the \ensuremath{\Gamma} point to a Fermi surface closed around a Z point is induced, either by increasing the interaction or by diminishing the concentration of holes. The shape of the renormalized spectral function Ap{\mathit{A}}_{\mathbf{p}}Ap​(\ensuremath{\omega}) is momentum dependent. Using Ap{\mathit{A}}_{\mathbf{p}}Ap​(\ensuremath{\omega}) we evaluate dispersion of single-particle excitations. At low energies the band of quasiparticles with reduced bandwidth is clearly seen. At high energies and far away from the Fermi surface the spectra acquire an additional peak that describes excitations in the Hubbard band. The dispersion in Hubbard bands is weaker along the \ensuremath{\Gamma}-Z, than \ensuremath{\Gamma}-X or X-Z direction. The density of states of a correlated system, as given by the perturbation theory, remains logarithmically singular but the singular weight is reduced with respect to the uncorrelated one. In addition, the correlations transfer the spectral weight out of the low-energy region, where only a narrow Kondo-like structure seems to remain. The spectral properties of the 2D Hubbard model obtained by the truncated perturbation expansion resemble in many ways the recent experimental data on metallic cuprates.
Quasiparticle bands of the two-dimensional Hubbard model are calculated using the Roth two-pole approximation to the one-particle Green's function. Excellent agreement is obtained with recent Monte Carlo calculations, including an anomalous volume of the Fermi surface near half-filling, which can possibly be explained in terms of a breakdown of Fermi liquid theory. The calculated bands are very flat around the (\ensuremath{\pi},0) points of the Brillouin zone in agreement with photoemission measurements of cuprate superconductors. With doping there is a shift in spectral weight from the upper band to the lower band. The Roth method is extended to deal with superconductivity within a four-pole approximation allowing electron-hole mixing. It is shown that triplet p-wave pairing never occurs. A self-consistent solution with singlet ${\mathit{d}}_{{\mathit{x}}^{2}\mathrm{\ensuremath{-}}{\mathit{y}}^{2}}$-wave pairing is found and optimal doping occurs when the van Hove singularity, corresponding to the flat band part, lies at the Fermi level. Nearest-neighbor antiferromagnetic correlations play an important role in flattening the bands near the Fermi level and in favoring superconductivity. However, the mechanism for superconductivity is a local one, in contrast to spin-fluctuation exchange models. For reasonable values of the hopping parameter the transition temperature Tc{\mathit{T}}_{\mathit{c}}Tc​ is in the range 10--100 K. The optimum doping ${\mathrm{\ensuremath{\delta}}}_{\mathit{c}}$ lies between 0.14 and 0.25, depending on the ratio U/t. The gap equation has a BCS-like form and 2${\mathrm{\ensuremath{\Delta}}}_{\mathrm{max}}$/kTc{\mathit{kT}}_{\mathit{c}}kTc​\ensuremath{\simeq}4.
We study numerically and partly diagrammatically the renormalization of the electron-spin interaction or vertex in a two-dimensional one-band Hubbard model with spin-fluctuation momentum transfer q = (π,π). We find that the renormalized electron-spin vertex decreases quite generally with decreasing temperature at all doping densities. As a combination of two concurring effects, i.e. the decrease of the vertex and the increase of the spin susceptibility, the effective pairing interaction increases with lowering temperature in the intermediate-correlation regime, but flattens off in the strong-correlation regime. Our findings indicate that in the high- T c cuprates the pairing mediated by antiferromagnetic spin fluctuations is substantially reduced due to vertex corrections.